SCHEMBL24985128

SCHEMBL24985128

COC(=O)c1nc(-c2ccc(OC(F)F)cc2OC)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CRHR1 P34998 6/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ P2RX7 Q99572 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CTSA P10619 1/20 0.37
▸ PTGES O14684 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30185106 0.91 CRHR1 (0.48) SMN1; SMN2MAPTNPC1RAB9ACRHR1
SCHEMBL24984517 0.91 CRHR1 (0.48) SMN1; SMN2MAPTNPC1RAB9ACRHR1
SCHEMBL30185102 0.91 PTGES (0.42) SMN1; SMN2MAPTNPC1RAB9ACRHR1
SCHEMBL24984519 0.91 PTGES (0.42) SMN1; SMN2MAPTNPC1RAB9ACRHR1
SCHEMBL30185245 0.89 CRHR1 (0.47) CRHR1P2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL24986581 0.89 CRHR1 (0.47) CRHR1P2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL30185287 0.85 AKR1C3 (0.42) SMN1; SMN2TAS1R3TAS1R1CTSA
SCHEMBL24984463 0.85 AKR1C3 (0.42) SMN1; SMN2TAS1R3TAS1R1CTSA
SCHEMBL24985641 0.85 MAPT (0.43) SMN1; SMN2MAPTNPC1RAB9ACRHR1
SCHEMBL30185318 0.85 MAPT (0.43) SMN1; SMN2MAPTNPC1RAB9ACRHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT SMN1; SMN2 3265/4885MAPT 3017/4885NPC1 4872/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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